EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:196151 - Onitin

ChEBI IDCHEBI:196151
ChEBI NameOnitin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(C)C2
InChIInChI=1S/C15H20O3/c1-8-10(5-6-16)9(2)13(17)11-7-15(3,4)14(18)12(8)11/h16-17H,5-7H2,1-4H3
InChIKeyIWRJCMQFEMXOML-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Onitin (CHEBI:196151) is a indanones (CHEBI:24789)
IUPAC Name 
4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one
Manual XrefsDatabases
2342022ChemSpider